SCHEMBL5222169

SCHEMBL5222169

COC(=O)[C@@H](N)Cc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.58
SLC7A5 Q01650 3/20 0.52
ALDH1A1 P00352 2/20 0.49
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
HPGD P15428 1/20 0.44
LTA4H P09960 1/20 0.44
CYP3A4 P08684 1/20 0.44
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8703262 1.00 PNMT (0.58) PNMTSLC7A5ALDH1A1NOS3NOS1
SCHEMBL32677002 1.00 PNMT (0.58) PNMTSLC7A5ALDH1A1NOS3NOS1
SCHEMBL4596339 1.00 PNMT (0.58) PNMTSLC7A5ALDH1A1NOS3NOS1
Hydrochloric Acid SCHEMBL27478281 0.98 PNMT (0.57) PNMTSLC7A5ALDH1A1NOS3NOS1
Hydrochloric Acid SCHEMBL27476980 0.98 PNMT (0.57) PNMTSLC7A5ALDH1A1NOS3NOS1
Hydrochloric Acid SCHEMBL27464747 0.98 PNMT (0.57) PNMTSLC7A5ALDH1A1NOS3NOS1
SCHEMBL27665622 0.88 PNMT (0.55) PNMTSLC7A5ALDH1A1NOS3NOS1
SCHEMBL21117781 0.87 PNMT (0.57) PNMTSLC7A5ALDH1A1NOS3NOS1
SCHEMBL11134770 0.87 PNMT (0.57) PNMTSLC7A5ALDH1A1NOS3NOS1
SCHEMBL26921529 0.87 PNMT (0.57) PNMTSLC7A5ALDH1A1NOS3NOS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 EP disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
US-5767088-A USEFUL FOR TREATING PAIN, INFLAMMATION, SMOOTH MUSCLE CONTRACTION AND INDUCING VASODILATION WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5610145-A CARBAMATE STEREOISOMERS WARNER-LAMBERT COMPANY (US) 1997-03-11 US disclosed
WO-1995028418-A2 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-10-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 PNMT 9/4885SLC7A5 1970/4885ALDH1A1 3673/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 PNMT 6/4885SLC7A5 1489/4885ALDH1A1 3102/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.